Cp*Rh(PPh2(2-O-3-(C(CN)2CH(CN)2)-6-MeOC6H2)Cl | 228551-60-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: Cp*Rh(PPh2(2-O-3-(C(CN)2CH(CN)2)-6-MeOC6H2)Cl
• 英文别名: chlororhodium(2+);2-diphenylphosphanyl-3-methoxy-6-(1,1,2,2-tetracyanoethyl)phenolate;1,2,3,4,5-pentamethylcyclopenta-1,3-diene
• CAS: 228551-60-8
• 化学式: C₃₅H₃₁ClN₄O₂PRh
• 分子量: 708.989
• InChiKey: MLEACCSEYBNZJH-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为反应物：
  描述：

  Cp*Rh(PPh2(2-O-3-(C(CN)2CH(CN)2)-6-MeOC6H2)Cl 、 silver trifluoromethanesulfonate 以 二氯甲烷 、 丙酮 为溶剂， 生成 [(Cp*RhPPh2(2-O-3-(C(CN)=C(CN)2)-6-MeOC6H2))2(CN)](OTf)
  参考文献：
  名称：

  Reactions of rhodium(II) and iridium(III) complexes bearing a P,O-coordination with tetracyanoethylene in the presence of KPF6

  摘要：

  Reactions of Cp*M(MDMPP-P,O)Cl (1a: M=Rh, 1b: M=lr; MDMPP-P,O=PPh2(2-O-6-MeOC6H3)) with tetracyanoethylene (tcne) in the presence of KPF6 gave Cp*MCl[PPh2 2-O-3-(C(CN)(2)CH(CN)(2))-6-MeOC6H2 I (2), [{Cp*MPPh2{2-O-3-(C(CN)= C(CN)(2))-6-MeOC6H2}}(2)(CN)](PF6) (3), [{Cp*IrPPh2{2-O-3-(C(CN)=C(CN)(2))-6-MeOC6H2}}(CN){Cp*Ir(MDMPP-P,O)}](PF6) (4b) and [JCp*Ir(MDMPP-P,O)}(2)(CN)](PF6) (5b), depending on the reaction conditions. Reaction of 2 with KPF6 or AgOTf in the absence and presence of xylyl isocyanide (XylNC) gave 3 or [Cp*MCl{PPh2(2-O-3-(C(CN)(2)-CH(CN)(2))-6-MeOC6H2)} (Xy-INC)I(OTf) (6). The structure of 3a (M = Rh) was confirmed by X-ray crystal analysis. (C) 2004 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2004.04.014
• 作为产物：
  描述：

  六氟磷酸钾 、 (C5Me5)RhCl(PPh2(C6H3-2-(MeO)-6-O)) 、 四氰基乙烯 以 二氯甲烷 、 丙酮 为溶剂， 以59.3%的产率得到Cp*Rh(PPh2(2-O-3-(C(CN)2CH(CN)2)-6-MeOC6H2)Cl
  参考文献：
  名称：

  Reactions of rhodium(II) and iridium(III) complexes bearing a P,O-coordination with tetracyanoethylene in the presence of KPF6

  摘要：

  Reactions of Cp*M(MDMPP-P,O)Cl (1a: M=Rh, 1b: M=lr; MDMPP-P,O=PPh2(2-O-6-MeOC6H3)) with tetracyanoethylene (tcne) in the presence of KPF6 gave Cp*MCl[PPh2 2-O-3-(C(CN)(2)CH(CN)(2))-6-MeOC6H2 I (2), [{Cp*MPPh2{2-O-3-(C(CN)= C(CN)(2))-6-MeOC6H2}}(2)(CN)](PF6) (3), [{Cp*IrPPh2{2-O-3-(C(CN)=C(CN)(2))-6-MeOC6H2}}(CN){Cp*Ir(MDMPP-P,O)}](PF6) (4b) and [JCp*Ir(MDMPP-P,O)}(2)(CN)](PF6) (5b), depending on the reaction conditions. Reaction of 2 with KPF6 or AgOTf in the absence and presence of xylyl isocyanide (XylNC) gave 3 or [Cp*MCl{PPh2(2-O-3-(C(CN)(2)-CH(CN)(2))-6-MeOC6H2)} (Xy-INC)I(OTf) (6). The structure of 3a (M = Rh) was confirmed by X-ray crystal analysis. (C) 2004 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.ica.2004.04.014